[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol

C13H21NO3 — CID 103699678

IUPAC[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
SMILESOCc1ccc(CNC2CCCCC2CO)o1
InChIInChI=1S/C13H21NO3/c15-8-10-3-1-2-4-13(10)14-7-11-5-6-12(9-16)17-11/h5-6,10,13-16H,1-4,7-9H2
InChIKeyRISCEIWMRBJBCZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.41
Rot. Bonds5

About [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol

[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol (PubChem CID 103699678) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
PubChem CID103699678
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol
SMILESOCc1ccc(CNC2CCCCC2CO)o1
InChIInChI=1S/C13H21NO3/c15-8-10-3-1-2-4-13(10)14-7-11-5-6-12(9-16)17-11/h5-6,10,13-16H,1-4,7-9H2
InChIKeyRISCEIWMRBJBCZ-UHFFFAOYSA-N
XLogP1.41
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]methanol
CID 115655020
[5-[[(2-ethylcyclopentyl)amino]methyl]furan-2-yl]methanol
CID 115691360
[2-[(5-methylfuran-2-yl)methylamino]cyclopentyl]methanol
CID 115655051
[5-[[(2-methylcyclohexyl)amino]methyl]furan-2-yl]methanol
CID 64578590
[2-[(4,5-dibromofuran-2-yl)methylamino]cyclopentyl]methanol
CID 106359455
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-3-methylfuran-2-carboxylic acid
CID 114178848
2-[(1R,2S)-2-[(5-bromofuran-2-yl)methylamino]cyclopentyl]ethanol
CID 99834074
5-[[[2-(hydroxymethyl)cyclohexyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106362476
[5-[(cyclopentyloxyamino)methyl]furan-2-yl]methanol
CID 83229626
[2-(furan-3-ylmethylamino)cycloheptyl]methanol
CID 115691389
tert-butyl N-[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclopentyl]carbamate
CID 107243708
[2-[(3-methylfuran-2-yl)methylamino]cyclohexyl]methanol
CID 111467057

Frequently Asked Questions

What is the IUPAC name of [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol (CID 103699678) is [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol is OCc1ccc(CNC2CCCCC2CO)o1.
What is the InChIKey of [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol?
The InChIKey is RISCEIWMRBJBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-8-10-3-1-2-4-13(10)14-7-11-5-6-12(9-16)17-11/h5-6,10,13-16H,1-4,7-9H2.
What are the key properties of [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol?
[2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol has a molecular weight of 239.31 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-(hydroxymethyl)furan-2-yl]methylamino]cyclohexyl]methanol is sourced from PubChem (CID 103699678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).